Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Food Additives  /  Hormones and synthetic substitutes  /  Pharmaceutical  /  Pharmaceutical Intermediates  /  Organic Intermediate
4-Piperidinol, 4-(2-methoxyphenyl)-1-(phenylmethyl)-, hydrochloride structure
4-Piperidinol, 4-(2-methoxyphenyl)-1-(phenylmethyl)-, hydrochloride structure

4-Piperidinol, 4-(2-methoxyphenyl)-1-(phenylmethyl)-, hydrochloride

Iupac Name:[(1S,2S,3S,5R,11R,12S,15R,16S)-15-acetyl-9-chloro-2,16-dimethyl-6-oxo-15-pentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dienyl] acetate
CAS No.:427-51-0
Molecular Weight:416.93766
1. Names and Identifiers
1.1 Name
4-Piperidinol, 4-(2-methoxyphenyl)-1-(phenylmethyl)-, hydrochloride
1.2 Synonyms

113411-58-8 1-Benzyl-4-(2-methoxyphenyl)piperidin-4-ol--hydrogen chloride (1/1) 4-Piperidinol, 4-(2-methoxyphenyl)-1-(phenylmethyl)-, hydrochloride ACMC-20mi5r CTK0C9672 DTXSID30765034

1.3 CAS No.
427-51-0
1.4 CID
9880
1.5 Molecular Formula
C11H12N2 (isomer)
1.6 Inchi
InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1
1.7 InChkey
UWFYSQMTEOIJJG-FDTZYFLXSA-N
1.8 Canonical Smiles
CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)OC(=O)C
1.9 Isomers Smiles
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)OC(=O)C
2. 3D Conformer
3. Properties
3.1 Melting Point
200-201oC
3.2 Vapour
3.78E-11mmHg at 25°C
3.3 Refractive Index
1.582
4. Safety and Handling
4.1 Risk Statements
R20/21/22;R40
4.2 Safety Statements
S26;S36
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Dermal, Category 4

Acute toxicity - Inhalation, Category 4

Carcinogenicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H312 Harmful in contact with skin

H332 Harmful if inhaled

H351 Suspected of causing cancer

Precautionary statement(s)
Prevention

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:416.93766g/mol
  • Molecular Formula:C11H12N2
  • Exact Mass:416.175437
  • Monoisotopic Mass:416.175437
  • Complexity:903
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:60.4
  • Heavy Atom Count:29
  • Defined Atom Stereocenter Count:8
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
7. Similar Structures Products
8. Recommended Suppliers
Global298SuppliersView all >>
  • Products:chemical industry and Pharmaceutical Intermediates products
  • Tel:0086-0311-88888888
  • Email:lisa@zhanyaobio.com
Cyproterone acetate Manufacturer/High quality/Best price/In stock
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2021/08/27
Inquire
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
Cyproterone acetate 427-51-0 high purity hot sale price good quality
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2021/07/15
Inquire
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-311-66561638
  • Email:xing@yan-xi.com
Cyproterone acetateCAS NO.: 427-51-0
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 5600 USD/Kilogram
  • Time: 2021/01/29
Inquire
  • Products:Professional production of steroids. API intermediates
  • Tel:86-597-2500105
  • Email:tianhua-contact@foxmail.com
Cyproterone acetate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 100 USD/Kilogram
  • Time: 2020/12/04
Inquire
  • Products:API
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
Factory high quality Cyproterone acetate Cas 427-51-0 with reasonable price
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1455 USD/Kilogram
  • Time: 2020/01/07
Inquire